Ethyl 6,8-dichlorooctanoate
TL;DR: Ethyl 6,8-dichlorooctanoate (CAS 1070-64-0) is a chemical compound with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,8-dichlorooctanoate
Also Known As: Ethyl 6,8-dichlorooctanoate, 6,8-Dichlorooctanoic acid ethyl ester, Ethyl 6,8-dichlorocaprylate, 6,8-dichlorooctanoate, Ethyl6,8-dichlorooctanoate
| Molecular Formula | C10H18Cl2O2 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.06839 |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1070-64-0 |
|---|---|
| SMILES | CCOC(=O)CCCCC(CCCl)Cl |
| InChIKey | RFYDWSNYTVVKBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6,8-dichlorooctanoate (CAS 1070-64-0), with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol. IUPAC: ethyl 6,8-dichlorooctanoate.
Chemical Property Profile of Ethyl 6,8-dichlorooctanoate
Property Insights of Ethyl 6,8-dichlorooctanoate
The XLogP value of 3.1 indicates that Ethyl 6,8-dichlorooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 6,8-dichlorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,8-dichlorooctanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6,8-dichlorooctanoate?
The CAS number of Ethyl 6,8-dichlorooctanoate is 1070-64-0.
What is the molecular formula of Ethyl 6,8-dichlorooctanoate?
The molecular formula of Ethyl 6,8-dichlorooctanoate is C10H18Cl2O2.
What is the molecular weight of Ethyl 6,8-dichlorooctanoate?
The molecular weight of Ethyl 6,8-dichlorooctanoate is 240.07 g/mol.
Where can I buy Ethyl 6,8-dichlorooctanoate?
You can request a quote for Ethyl 6,8-dichlorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6,8-dichlorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,8-dichlorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.